Chemical ID: 7250412

Cc1ccc(cc1)C2=CC(n3c(ncn3)N2)c4ccc(cc4F)F
Chemical ID:
7250412
Name [?]:
2-(2,4-difluorophenyl)-4-(p-tolyl)-1,5,7,9-tetrazabicyclo[4.3.0]nona-3,6,8-triene
SMILES [?]:
Cc1ccc(cc1)C2=CC(n3c(ncn3)N2)c4ccc(cc4F)F
InChi [?]:
InChI=1/C18H14F2N4/c1-11-2-4-12(5-3-11)16-9-17(24-18(23-16)21-10-22-24)14-7-6-13(19)8-15(14)20/h2-10,17H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,19,18,21,9,14,2,5,20,17,22,8,10,12,24,23,13,15,16,11/E:(2,3)(4,5)/rA:24cCCCCCCCCCCNCNCNNCCCCCCFF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s11;d12;s13;s11d14;s8s12;s10;s17;d18;s19;d20;d17s21;s22;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14F2N4
All Atoms:38
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.822
Area:497.026
Solvation:-3.60365
Coulombic:-31.7441
Bond Count [?]
All:27
Single:18
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:324.328
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.77
LogP (Chemaxon):3.79

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